N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide

C14H29N3O2S — CID 131917277

IUPACN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide
SMILESCCN(C)C1(CNS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C14H29N3O2S/c1-3-16(2)14(9-5-4-6-10-14)13-15-20(18,19)17-11-7-8-12-17/h15H,3-13H2,1-2H3
InChIKeyBJLIPCXGTRNCIO-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.57
Rot. Bonds6

About N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide

N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 131917277) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide
PubChem CID131917277
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide
SMILESCCN(C)C1(CNS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C14H29N3O2S/c1-3-16(2)14(9-5-4-6-10-14)13-15-20(18,19)17-11-7-8-12-17/h15H,3-13H2,1-2H3
InChIKeyBJLIPCXGTRNCIO-UHFFFAOYSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide (CID 131917277) is N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide is CCN(C)C1(CNS(=O)(=O)N2CCCC2)CCCCC1.
What is the InChIKey of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is BJLIPCXGTRNCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-16(2)14(9-5-4-6-10-14)13-15-20(18,19)17-11-7-8-12-17/h15H,3-13H2,1-2H3.
What are the key properties of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide?
N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131917277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).