2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide

C12H22N2OS — CID 80600083

IUPAC2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
SMILESO=C(CNCC1CC1)NCC1CCCCS1
InChIInChI=1S/C12H22N2OS/c15-12(9-13-7-10-4-5-10)14-8-11-3-1-2-6-16-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyNZXUDVBXWLLRTB-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide

2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide (PubChem CID 80600083) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
PubChem CID80600083
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
SMILESO=C(CNCC1CC1)NCC1CCCCS1
InChIInChI=1S/C12H22N2OS/c15-12(9-13-7-10-4-5-10)14-8-11-3-1-2-6-16-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyNZXUDVBXWLLRTB-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600284
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
2-(2-methoxyethylamino)-N-(thiolan-2-ylmethyl)acetamide;hydrochloride
CID 119790691
methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
N-propyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80585576
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide
CID 80601172
2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide (CID 80600083) is 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide is O=C(CNCC1CC1)NCC1CCCCS1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide?
The InChIKey is NZXUDVBXWLLRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c15-12(9-13-7-10-4-5-10)14-8-11-3-1-2-6-16-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide?
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide is sourced from PubChem (CID 80600083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).