N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide

C13H29N3O3S — CID 106014030

IUPACN-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H29N3O3S/c1-3-8-15(4-2)10-7-14-20(18,19)16-9-5-6-13(11-16)12-17/h13-14,17H,3-12H2,1-2H3
InChIKeyBIGPXJLFDKVEBN-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.26
Rot. Bonds9

About N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide

N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide (PubChem CID 106014030) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
PubChem CID106014030
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H29N3O3S/c1-3-8-15(4-2)10-7-14-20(18,19)16-9-5-6-13(11-16)12-17/h13-14,17H,3-12H2,1-2H3
InChIKeyBIGPXJLFDKVEBN-UHFFFAOYSA-N
XLogP0.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 114134691
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
N-methyl-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 79612634
3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423465
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide (CID 106014030) is N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide is CCCN(CC)CCNS(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
The InChIKey is BIGPXJLFDKVEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-3-8-15(4-2)10-7-14-20(18,19)16-9-5-6-13(11-16)12-17/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106014030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).