(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide

C17H33N3OS — CID 119887110

IUPAC(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C17H33N3OS/c1-14(2)12-15(18)16(21)19-13-17(6-4-3-5-7-17)20-8-10-22-11-9-20/h14-15H,3-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyQQIQTMACYQOENV-HNNXBMFYSA-N
MW327.54 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide (PubChem CID 119887110) has the molecular formula C17H33N3OS and a molecular weight of 327.54 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
PubChem CID119887110
Molecular FormulaC17H33N3OS
Molecular Weight327.54 g/mol
Exact Mass327.23
IUPAC Name(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C17H33N3OS/c1-14(2)12-15(18)16(21)19-13-17(6-4-3-5-7-17)20-8-10-22-11-9-20/h14-15H,3-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyQQIQTMACYQOENV-HNNXBMFYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide with MolForge

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Related Compounds

(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
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-amino-3-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 120983514
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 99807217
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
CID 120941832
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide (CID 119887110) is (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCC1(N2CCSCC2)CCCCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide?
The InChIKey is QQIQTMACYQOENV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H33N3OS/c1-14(2)12-15(18)16(21)19-13-17(6-4-3-5-7-17)20-8-10-22-11-9-20/h14-15H,3-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide has a molecular weight of 327.54 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide is sourced from PubChem (CID 119887110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).