1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide

C9H16N2OS — CID 107296095

IUPAC1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC2CCSC2)CC1
InChIInChI=1S/C9H16N2OS/c10-9(2-3-9)8(12)11-5-7-1-4-13-6-7/h7H,1-6,10H2,(H,11,12)
InChIKeyVUWSJXZDHRTFPS-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.35
Rot. Bonds3

About 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide

1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 107296095) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID107296095
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC2CCSC2)CC1
InChIInChI=1S/C9H16N2OS/c10-9(2-3-9)8(12)11-5-7-1-4-13-6-7/h7H,1-6,10H2,(H,11,12)
InChIKeyVUWSJXZDHRTFPS-UHFFFAOYSA-N
XLogP0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
1-(N'-hydroxycarbamimidoyl)-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107297758
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107295961
1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 107295997
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
CID 107296276
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide (CID 107296095) is 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide is NC1(C(=O)NCC2CCSC2)CC1.
What is the InChIKey of 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is VUWSJXZDHRTFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c10-9(2-3-9)8(12)11-5-7-1-4-13-6-7/h7H,1-6,10H2,(H,11,12).
What are the key properties of 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide?
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 200.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107296095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).