2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide

C14H30N4O2S — CID 106074286

IUPAC2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H30N4O2S/c1-12(11-17(2)3)16-21(19,20)18-9-5-4-6-14(18)10-15-13-7-8-13/h12-16H,4-11H2,1-3H3
InChIKeyPRENVZSBUXUEGI-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.38
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide

2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide (PubChem CID 106074286) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
PubChem CID106074286
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H30N4O2S/c1-12(11-17(2)3)16-21(19,20)18-9-5-4-6-14(18)10-15-13-7-8-13/h12-16H,4-11H2,1-3H3
InChIKeyPRENVZSBUXUEGI-UHFFFAOYSA-N
XLogP0.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063874
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
CID 106088999
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide (CID 106074286) is 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide is CC(CN(C)C)NS(=O)(=O)N1CCCCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide?
The InChIKey is PRENVZSBUXUEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-12(11-17(2)3)16-21(19,20)18-9-5-4-6-14(18)10-15-13-7-8-13/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide?
2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 106074286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).