N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide

C14H30N2O2S — CID 58821377

IUPACN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)NC1(CN(C)S(=O)(=O)C(C)C)CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-12(2)15-14(9-7-6-8-10-14)11-16(5)19(17,18)13(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyOTPZDBSMWBMJOW-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide

N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 58821377) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID58821377
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)NC1(CN(C)S(=O)(=O)C(C)C)CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-12(2)15-14(9-7-6-8-10-14)11-16(5)19(17,18)13(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyOTPZDBSMWBMJOW-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide (CID 58821377) is N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide is CC(C)NC1(CN(C)S(=O)(=O)C(C)C)CCCCC1.
What is the InChIKey of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is OTPZDBSMWBMJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-12(2)15-14(9-7-6-8-10-14)11-16(5)19(17,18)13(3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide?
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 58821377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).