N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide

C14H26N2OS — CID 84587926

IUPACN-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC2CCSC2)C1
InChIInChI=1S/C14H26N2OS/c1-10(2)15-14(17)11-4-3-5-12(8-11)16-13-6-7-18-9-13/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyULCKCLVMMOBIAW-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.16
Rot. Bonds4

About N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide

N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide (PubChem CID 84587926) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide
PubChem CID84587926
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC2CCSC2)C1
InChIInChI=1S/C14H26N2OS/c1-10(2)15-14(17)11-4-3-5-12(8-11)16-13-6-7-18-9-13/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyULCKCLVMMOBIAW-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide
CID 97232196
3-(thiolan-3-ylamino)cyclohexan-1-ol
CID 43751170
cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 124737514
1-propan-2-yl-3-(thiolan-3-yl)thiourea
CID 103709717
N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
CID 86962853
1-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 99576677
ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
CID 104526787
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
N-(3-methylcyclohexyl)thian-4-amine
CID 43428241
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide (CID 84587926) is N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide is CC(C)NC(=O)C1CCCC(NC2CCSC2)C1.
What is the InChIKey of N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide?
The InChIKey is ULCKCLVMMOBIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10(2)15-14(17)11-4-3-5-12(8-11)16-13-6-7-18-9-13/h10-13,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide?
N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 84587926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).