N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide

C10H17NOS — CID 80528490

IUPACN-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
SMILESCC1(CNC(=O)C2CC2)CCCS1
InChIInChI=1S/C10H17NOS/c1-10(5-2-6-13-10)7-11-9(12)8-3-4-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyIVBVREAVPFZPGT-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.80
Rot. Bonds3

About N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide

N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 80528490) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
PubChem CID80528490
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
SMILESCC1(CNC(=O)C2CC2)CCCS1
InChIInChI=1S/C10H17NOS/c1-10(5-2-6-13-10)7-11-9(12)8-3-4-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyIVBVREAVPFZPGT-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-methylthiolan-2-yl)methyl]cycloheptane-1-carboxamide
CID 80736958
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481
4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
CID 80738360
4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
CID 80736421
2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid
CID 80743539
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
CID 80737620
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide
CID 96541183

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide (CID 80528490) is N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide is CC1(CNC(=O)C2CC2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is IVBVREAVPFZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(5-2-6-13-10)7-11-9(12)8-3-4-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide?
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 199.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 80528490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).