N-cyclohexylthiane-3-carboxamide

C12H21NOS — CID 110848935

IUPACN-cyclohexylthiane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCSC1
InChIInChI=1S/C12H21NOS/c14-12(10-5-4-8-15-9-10)13-11-6-2-1-3-7-11/h10-11H,1-9H2,(H,13,14)
InChIKeyCRMCIPGCNQHHQJ-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.58
Rot. Bonds2

About N-cyclohexylthiane-3-carboxamide

N-cyclohexylthiane-3-carboxamide (PubChem CID 110848935) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-cyclohexylthiane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexylthiane-3-carboxamide
PubChem CID110848935
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-cyclohexylthiane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCSC1
InChIInChI=1S/C12H21NOS/c14-12(10-5-4-8-15-9-10)13-11-6-2-1-3-7-11/h10-11H,1-9H2,(H,13,14)
InChIKeyCRMCIPGCNQHHQJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexylthiolane-3-carboxamide
CID 64590364
N-cyclopentylthiolane-3-carboxamide
CID 64592459
N-cyclopropylthiolane-3-carboxamide
CID 64591320
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylthiane-3-carboxamide?
The IUPAC name of N-cyclohexylthiane-3-carboxamide (CID 110848935) is N-cyclohexylthiane-3-carboxamide.
What is the SMILES notation for N-cyclohexylthiane-3-carboxamide?
The canonical SMILES for N-cyclohexylthiane-3-carboxamide is O=C(NC1CCCCC1)C1CCCSC1.
What is the InChIKey of N-cyclohexylthiane-3-carboxamide?
The InChIKey is CRMCIPGCNQHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c14-12(10-5-4-8-15-9-10)13-11-6-2-1-3-7-11/h10-11H,1-9H2,(H,13,14).
What are the key properties of N-cyclohexylthiane-3-carboxamide?
N-cyclohexylthiane-3-carboxamide has a molecular weight of 227.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylthiane-3-carboxamide is sourced from PubChem (CID 110848935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).