N-cyclopropylthiolane-3-carboxamide

C8H13NOS — CID 64591320

IUPACN-cyclopropylthiolane-3-carboxamide
SMILESO=C(NC1CC1)C1CCSC1
InChIInChI=1S/C8H13NOS/c10-8(9-7-1-2-7)6-3-4-11-5-6/h6-7H,1-5H2,(H,9,10)
InChIKeyORKVIEQSJJJYIS-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.02
Rot. Bonds2

About N-cyclopropylthiolane-3-carboxamide

N-cyclopropylthiolane-3-carboxamide (PubChem CID 64591320) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is N-cyclopropylthiolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylthiolane-3-carboxamide
PubChem CID64591320
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC NameN-cyclopropylthiolane-3-carboxamide
SMILESO=C(NC1CC1)C1CCSC1
InChIInChI=1S/C8H13NOS/c10-8(9-7-1-2-7)6-3-4-11-5-6/h6-7H,1-5H2,(H,9,10)
InChIKeyORKVIEQSJJJYIS-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentylthiolane-3-carboxamide
CID 64592459
N-cyclohexylthiolane-3-carboxamide
CID 64590364
N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053
N-cyclohexylthiane-3-carboxamide
CID 110848935
N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide
CID 131140597
4-(thiolan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103064077
N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 103811764
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119313224
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylthiolane-3-carboxamide?
The IUPAC name of N-cyclopropylthiolane-3-carboxamide (CID 64591320) is N-cyclopropylthiolane-3-carboxamide.
What is the SMILES notation for N-cyclopropylthiolane-3-carboxamide?
The canonical SMILES for N-cyclopropylthiolane-3-carboxamide is O=C(NC1CC1)C1CCSC1.
What is the InChIKey of N-cyclopropylthiolane-3-carboxamide?
The InChIKey is ORKVIEQSJJJYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c10-8(9-7-1-2-7)6-3-4-11-5-6/h6-7H,1-5H2,(H,9,10).
What are the key properties of N-cyclopropylthiolane-3-carboxamide?
N-cyclopropylthiolane-3-carboxamide has a molecular weight of 171.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylthiolane-3-carboxamide is sourced from PubChem (CID 64591320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).