N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide

C10H13NOS2 — CID 107023704

IUPACN-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc(S)cs1
InChIInChI=1S/C10H13NOS2/c1-11(5-7-2-3-7)10(12)9-4-8(13)6-14-9/h4,6-7,13H,2-3,5H2,1H3
InChIKeyGONDXAOCGRFHOP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.52
Rot. Bonds3

About N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide

N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107023704) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
PubChem CID107023704
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameN-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc(S)cs1
InChIInChI=1S/C10H13NOS2/c1-11(5-7-2-3-7)10(12)9-4-8(13)6-14-9/h4,6-7,13H,2-3,5H2,1H3
InChIKeyGONDXAOCGRFHOP-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107026594
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
CID 107037295
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023421
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 106137759
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide (CID 107023704) is N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide is CN(CC1CC1)C(=O)c1cc(S)cs1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is GONDXAOCGRFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-11(5-7-2-3-7)10(12)9-4-8(13)6-14-9/h4,6-7,13H,2-3,5H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107023704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).