N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide

C14H29NO2S — CID 58689269

IUPACN-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)10-11-18(16,17)15(13(3)4)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3
InChIKeyZJJONZDQRFRFNT-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.41
Rot. Bonds6

About N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide

N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 58689269) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide
PubChem CID58689269
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)10-11-18(16,17)15(13(3)4)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3
InChIKeyZJJONZDQRFRFNT-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide (CID 58689269) is N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C(C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is ZJJONZDQRFRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(2)10-11-18(16,17)15(13(3)4)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3.
What are the key properties of N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide?
N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 58689269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).