N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide

C13H22N2O2S — CID 107032145

IUPACN-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
SMILESO=C(CC1(CS)CC1)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H22N2O2S/c16-11(15-10-3-4-10)2-1-7-14-12(17)8-13(9-18)5-6-13/h10,18H,1-9H2,(H,14,17)(H,15,16)
InChIKeyCWOXPXRKGWDMBZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.26
Rot. Bonds8

About N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide

N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide (PubChem CID 107032145) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
PubChem CID107032145
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
SMILESO=C(CC1(CS)CC1)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H22N2O2S/c16-11(15-10-3-4-10)2-1-7-14-12(17)8-13(9-18)5-6-13/h10,18H,1-9H2,(H,14,17)(H,15,16)
InChIKeyCWOXPXRKGWDMBZ-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021547
N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025065
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030296
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 79395533
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027283
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
CID 81168736
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide (CID 107032145) is N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide is O=C(CC1(CS)CC1)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The InChIKey is CWOXPXRKGWDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-11(15-10-3-4-10)2-1-7-14-12(17)8-13(9-18)5-6-13/h10,18H,1-9H2,(H,14,17)(H,15,16).
What are the key properties of N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide has a molecular weight of 270.40 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide is sourced from PubChem (CID 107032145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).