N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

C14H30N4O2S — CID 106075381

IUPACN-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)NCC1CCCCN1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C14H30N4O2S/c1-13(2)15-12-14-8-4-7-11-18(14)21(19,20)16-17-9-5-3-6-10-17/h13-16H,3-12H2,1-2H3
InChIKeyNPXALDZLDXBOPM-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.07
Rot. Bonds6

About N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 106075381) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID106075381
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC NameN-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)NCC1CCCCN1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C14H30N4O2S/c1-13(2)15-12-14-8-4-7-11-18(14)21(19,20)16-17-9-5-3-6-10-17/h13-16H,3-12H2,1-2H3
InChIKeyNPXALDZLDXBOPM-UHFFFAOYSA-N
XLogP1.07
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
N-[[1-(3-methoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 103541485
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
CID 114813122

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 106075381) is N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is CC(C)NCC1CCCCN1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is NPXALDZLDXBOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-13(2)15-12-14-8-4-7-11-18(14)21(19,20)16-17-9-5-3-6-10-17/h13-16H,3-12H2,1-2H3.
What are the key properties of N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106075381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).