N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide

C14H27NO3S — CID 136580653

IUPACN-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C14H27NO3S/c1-10(2)9-19(17,18)15-14(16)13-7-5-12(6-8-13)11(3)4/h10-13H,5-9H2,1-4H3,(H,15,16)
InChIKeyRNCYMWRFZHDHRL-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.55
Rot. Bonds5

About N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide

N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 136580653) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID136580653
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C14H27NO3S/c1-10(2)9-19(17,18)15-14(16)13-7-5-12(6-8-13)11(3)4/h10-13H,5-9H2,1-4H3,(H,15,16)
InChIKeyRNCYMWRFZHDHRL-UHFFFAOYSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide (CID 136580653) is N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)CS(=O)(=O)NC(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is RNCYMWRFZHDHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-10(2)9-19(17,18)15-14(16)13-7-5-12(6-8-13)11(3)4/h10-13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide?
N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 289.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 136580653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).