1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine

C13H28N4O2S — CID 67404676

IUPAC1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine
SMILESCN1CCN(CCCS(=O)(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C13H28N4O2S/c1-15-8-10-16(11-9-15)5-2-12-20(18,19)17-6-3-13(14)4-7-17/h13H,2-12,14H2,1H3
InChIKeyFSBQVROOODHJEH-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.62
Rot. Bonds5

About 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine

1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine (PubChem CID 67404676) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine
PubChem CID67404676
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine
SMILESCN1CCN(CCCS(=O)(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C13H28N4O2S/c1-15-8-10-16(11-9-15)5-2-12-20(18,19)17-6-3-13(14)4-7-17/h13H,2-12,14H2,1H3
InChIKeyFSBQVROOODHJEH-UHFFFAOYSA-N
XLogP-0.62
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-1-ethanesulfonylpiperidine
CID 16776186
1-(Propane-2-sulfonyl)piperidin-4-amine hydrochloride
CID 21090391
1-(Propane-1-sulfonyl)piperidin-4-amine
CID 16774109
N-(piperidin-3-yl)ethane-1-sulfonamide
CID 18069591
2-(Piperidin-3-yl)-1lambda6,2-thiazinane-1,1-dione
CID 83821944
1-(Propane-1-sulfonyl)piperidin-4-amine hydrochloride
CID 91989245
N-methyl-N-{2-[(1-methylpiperidin-4-yl)amino]ethyl}methanesulfonamide
CID 50954696
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
1-(Propane-2-sulfonyl)piperidin-4-amine
CID 21090392
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 123425452
1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 123725074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine (CID 67404676) is 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine is CN1CCN(CCCS(=O)(=O)N2CCC(N)CC2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine?
The InChIKey is FSBQVROOODHJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-15-8-10-16(11-9-15)5-2-12-20(18,19)17-6-3-13(14)4-7-17/h13H,2-12,14H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine?
1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine is sourced from PubChem (CID 67404676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).