N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide

C10H19N3O2S — CID 107172726

IUPACN-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1CCCNCC1
InChIInChI=1S/C10H19N3O2S/c1-2-10(8-11)16(14,15)13-9-4-3-6-12-7-5-9/h9-10,12-13H,2-7H2,1H3
InChIKeyLHDZEXZILLMBFD-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.35
Rot. Bonds4

About N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide

N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide (PubChem CID 107172726) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
PubChem CID107172726
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1CCCNCC1
InChIInChI=1S/C10H19N3O2S/c1-2-10(8-11)16(14,15)13-9-4-3-6-12-7-5-9/h9-10,12-13H,2-7H2,1H3
InChIKeyLHDZEXZILLMBFD-UHFFFAOYSA-N
XLogP0.35
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1-oxothian-4-yl)propane-1-sulfonamide
CID 104600188
1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 113338251
1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
CID 103887652
1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106607342
N-(1-cyclopropylbutan-2-yl)azepan-4-amine
CID 103982184
N-cyclohexylbutane-2-sulfonamide
CID 59716186
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 114083935
N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
CID 103981671
1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide
CID 115766985

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide?
The IUPAC name of N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide (CID 107172726) is N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide?
The canonical SMILES for N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide?
The InChIKey is LHDZEXZILLMBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-10(8-11)16(14,15)13-9-4-3-6-12-7-5-9/h9-10,12-13H,2-7H2,1H3.
What are the key properties of N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide?
N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide is sourced from PubChem (CID 107172726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).