[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine

C13H28N4O2S — CID 114551752

IUPAC[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine
SMILESCC1CN(S(=O)(=O)N2CCC(CN)CC2)CC(C)N1C
InChIInChI=1S/C13H28N4O2S/c1-11-9-17(10-12(2)15(11)3)20(18,19)16-6-4-13(8-14)5-7-16/h11-13H,4-10,14H2,1-3H3
InChIKeyGCFIDKVRGCMNEM-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.07
Rot. Bonds3

About [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine

[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 114551752) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine
PubChem CID114551752
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine
SMILESCC1CN(S(=O)(=O)N2CCC(CN)CC2)CC(C)N1C
InChIInChI=1S/C13H28N4O2S/c1-11-9-17(10-12(2)15(11)3)20(18,19)16-6-4-13(8-14)5-7-16/h11-13H,4-10,14H2,1-3H3
InChIKeyGCFIDKVRGCMNEM-UHFFFAOYSA-N
XLogP-0.07
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 102971478
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
4-(chloromethyl)-1-(3,4-dimethylpyrrolidin-1-yl)sulfonylpiperidine
CID 79183603
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]piperidin-4-yl]methanamine
CID 107460025
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 54592998
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine (CID 114551752) is [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine is CC1CN(S(=O)(=O)N2CCC(CN)CC2)CC(C)N1C.
What is the InChIKey of [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is GCFIDKVRGCMNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-11-9-17(10-12(2)15(11)3)20(18,19)16-6-4-13(8-14)5-7-16/h11-13H,4-10,14H2,1-3H3.
What are the key properties of [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine?
[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 114551752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).