4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide

C11H24N4O2S — CID 114803506

IUPAC4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
SMILESNCCCN1CCCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H24N4O2S/c12-5-1-6-14-7-2-8-15(10-9-14)18(16,17)13-11-3-4-11/h11,13H,1-10,12H2
InChIKeyISJBAGVQRNUHAJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP-0.66
Rot. Bonds6

About 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide

4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide (PubChem CID 114803506) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
PubChem CID114803506
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
SMILESNCCCN1CCCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H24N4O2S/c12-5-1-6-14-7-2-8-15(10-9-14)18(16,17)13-11-3-4-11/h11,13H,1-10,12H2
InChIKeyISJBAGVQRNUHAJ-UHFFFAOYSA-N
XLogP-0.66
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114803524
methyl N-[[4-(3-aminopropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461182
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
CID 114533580
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 61455645
4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114803495
3-[4-(3-methylbutylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63832630
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
3-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 106722626
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114804010

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide (CID 114803506) is 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide is NCCCN1CCCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide?
The InChIKey is ISJBAGVQRNUHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c12-5-1-6-14-7-2-8-15(10-9-14)18(16,17)13-11-3-4-11/h11,13H,1-10,12H2.
What are the key properties of 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide?
4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide has a molecular weight of 276.41 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 114803506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).