N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide

C14H32N4O2S — CID 103192345

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C14H32N4O2S/c1-6-18(13(2)12-16(4)5)21(19,20)17-9-7-14(8-10-17)11-15-3/h13-15H,6-12H2,1-5H3
InChIKeyUVCQTHOJQGJBKD-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.43
Rot. Bonds8

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 103192345) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID103192345
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C14H32N4O2S/c1-6-18(13(2)12-16(4)5)21(19,20)17-9-7-14(8-10-17)11-15-3/h13-15H,6-12H2,1-5H3
InChIKeyUVCQTHOJQGJBKD-UHFFFAOYSA-N
XLogP0.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 103192209
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
CID 119978105
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide;hydrochloride
CID 119978104
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 103192345) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)N1CCC(CNC)CC1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is UVCQTHOJQGJBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-6-18(13(2)12-16(4)5)21(19,20)17-9-7-14(8-10-17)11-15-3/h13-15H,6-12H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 103192345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).