N-(2-methylpropyl)thiolane-3-carboxamide

C9H17NOS — CID 64592330

IUPACN-(2-methylpropyl)thiolane-3-carboxamide
SMILESCC(C)CNC(=O)C1CCSC1
InChIInChI=1S/C9H17NOS/c1-7(2)5-10-9(11)8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyXGWDCPXYPORYHN-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.51
Rot. Bonds3

About N-(2-methylpropyl)thiolane-3-carboxamide

N-(2-methylpropyl)thiolane-3-carboxamide (PubChem CID 64592330) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(2-methylpropyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)thiolane-3-carboxamide
PubChem CID64592330
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(2-methylpropyl)thiolane-3-carboxamide
SMILESCC(C)CNC(=O)C1CCSC1
InChIInChI=1S/C9H17NOS/c1-7(2)5-10-9(11)8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyXGWDCPXYPORYHN-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2,2-difluoroethyl)thiane-3-carboxamide
CID 130678335
N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
CID 115283671
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 66170496
N-(1-bromo-3-methylbutan-2-yl)thiolane-3-carboxamide
CID 114316118
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide
CID 103782283
1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
CID 103709712

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)thiolane-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)thiolane-3-carboxamide (CID 64592330) is N-(2-methylpropyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)thiolane-3-carboxamide is CC(C)CNC(=O)C1CCSC1.
What is the InChIKey of N-(2-methylpropyl)thiolane-3-carboxamide?
The InChIKey is XGWDCPXYPORYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7(2)5-10-9(11)8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methylpropyl)thiolane-3-carboxamide?
N-(2-methylpropyl)thiolane-3-carboxamide has a molecular weight of 187.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)thiolane-3-carboxamide is sourced from PubChem (CID 64592330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).