4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide

C14H26N2OS — CID 79948097

IUPAC4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide
SMILESCC1(C)CCSCC1NC1CCC(C(N)=O)CC1
InChIInChI=1S/C14H26N2OS/c1-14(2)7-8-18-9-12(14)16-11-5-3-10(4-6-11)13(15)17/h10-12,16H,3-9H2,1-2H3,(H2,15,17)
InChIKeySGGSNQAKPLEIME-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.15
Rot. Bonds3

About 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide

4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79948097) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID79948097
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide
SMILESCC1(C)CCSCC1NC1CCC(C(N)=O)CC1
InChIInChI=1S/C14H26N2OS/c1-14(2)7-8-18-9-12(14)16-11-5-3-10(4-6-11)13(15)17/h10-12,16H,3-9H2,1-2H3,(H2,15,17)
InChIKeySGGSNQAKPLEIME-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide
CID 79948277
N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
CID 79948037
3-[(4,4-dimethylthian-3-yl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79955474
3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide
CID 106170755
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852
4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
CID 79948975
3-[(4,4-dimethylthian-3-yl)amino]benzamide
CID 79952112
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107237709
2-[(4,4-dimethylthian-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79947942
N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79949021

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide (CID 79948097) is 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide is CC1(C)CCSCC1NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is SGGSNQAKPLEIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-14(2)7-8-18-9-12(14)16-11-5-3-10(4-6-11)13(15)17/h10-12,16H,3-9H2,1-2H3,(H2,15,17).
What are the key properties of 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide?
4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79948097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).