N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide

C18H35N5OS — CID 111383279

IUPACN-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C18H35N5OS/c1-17(2,3)22-15(24)13-20-16(19-4)21-14-18(7-5-6-8-18)23-9-11-25-12-10-23/h5-14H2,1-4H3,(H,22,24)(H2,19,20,21)
InChIKeyHAHYUNIOLXSXLM-UHFFFAOYSA-N
MW369.58 g/mol
LogP1.43
Rot. Bonds5

About N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide

N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide (PubChem CID 111383279) has the molecular formula C18H35N5OS and a molecular weight of 369.58 g/mol. Its IUPAC name is N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide
PubChem CID111383279
Molecular FormulaC18H35N5OS
Molecular Weight369.58 g/mol
Exact Mass369.26
IUPAC NameN-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C18H35N5OS/c1-17(2,3)22-15(24)13-20-16(19-4)21-14-18(7-5-6-8-18)23-9-11-25-12-10-23/h5-14H2,1-4H3,(H,22,24)(H2,19,20,21)
InChIKeyHAHYUNIOLXSXLM-UHFFFAOYSA-N
XLogP1.43
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003765
2-methyl-1-propyl-3-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111829013
1-butyl-2-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111152258
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111832216
4-acetyl-N'-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119160236
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
2-methyl-1-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111259585
2-methyl-1-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111829711
N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
CID 111831722
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111906507
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111184041
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide (CID 111383279) is N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide is C/N=C(\NCC(=O)NC(C)(C)C)NCC1(N2CCSCC2)CCCC1.
What is the InChIKey of N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide?
The InChIKey is HAHYUNIOLXSXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5OS/c1-17(2,3)22-15(24)13-20-16(19-4)21-14-18(7-5-6-8-18)23-9-11-25-12-10-23/h5-14H2,1-4H3,(H,22,24)(H2,19,20,21).
What are the key properties of N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide?
N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide has a molecular weight of 369.58 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111383279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).