N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide

C12H26N2O2S — CID 22624693

IUPACN-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(N)CC1
InChIInChI=1S/C12H26N2O2S/c1-9(2)17(15,16)14-8-10(3)11-4-6-12(13)7-5-11/h9-12,14H,4-8,13H2,1-3H3
InChIKeyNUWOYCPRXLKXKT-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide

N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide (PubChem CID 22624693) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide
PubChem CID22624693
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(N)CC1
InChIInChI=1S/C12H26N2O2S/c1-9(2)17(15,16)14-8-10(3)11-4-6-12(13)7-5-11/h9-12,14H,4-8,13H2,1-3H3
InChIKeyNUWOYCPRXLKXKT-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide (CID 22624693) is N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(N)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide?
The InChIKey is NUWOYCPRXLKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(2)17(15,16)14-8-10(3)11-4-6-12(13)7-5-11/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide?
N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 22624693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).