N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

C13H24N2O2S — CID 107034539

IUPACN-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCC(C)CNC(=O)C(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H24N2O2S/c1-9(2)7-14-12(17)10(3)15-11(16)6-13(8-18)4-5-13/h9-10,18H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyLPLGEBYGEADSPL-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.36
Rot. Bonds7

About N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (PubChem CID 107034539) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
PubChem CID107034539
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCC(C)CNC(=O)C(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H24N2O2S/c1-9(2)7-14-12(17)10(3)15-11(16)6-13(8-18)4-5-13/h9-10,18H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyLPLGEBYGEADSPL-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 106347336
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
N-[1-(1-adamantyl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019798
N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036085
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027283
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027241

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (CID 107034539) is N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is CC(C)CNC(=O)C(C)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The InChIKey is LPLGEBYGEADSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-9(2)7-14-12(17)10(3)15-11(16)6-13(8-18)4-5-13/h9-10,18H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide has a molecular weight of 272.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is sourced from PubChem (CID 107034539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).