N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide

C12H26N4O2S — CID 61456581

IUPACN-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-14(6-2-5-13)19(17,18)16-9-7-15(8-10-16)11-12-3-4-12/h12H,2-11,13H2,1H3
InChIKeyGFQFCJKCNTWYJT-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.46
Rot. Bonds7

About N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide

N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 61456581) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
PubChem CID61456581
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-14(6-2-5-13)19(17,18)16-9-7-15(8-10-16)11-12-3-4-12/h12H,2-11,13H2,1H3
InChIKeyGFQFCJKCNTWYJT-UHFFFAOYSA-N
XLogP-0.46
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide (CID 61456581) is N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is GFQFCJKCNTWYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-14(6-2-5-13)19(17,18)16-9-7-15(8-10-16)11-12-3-4-12/h12H,2-11,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide?
N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of -0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 61456581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).