N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine

C14H31N3O2S — CID 79716430

IUPACN-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(CC)CC1CCNCC1
InChIInChI=1S/C14H31N3O2S/c1-4-11-17(12-5-2)20(18,19)16(6-3)13-14-7-9-15-10-8-14/h14-15H,4-13H2,1-3H3
InChIKeyOTLZLXOEKJYQHO-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.67
Rot. Bonds9

About N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine

N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine (PubChem CID 79716430) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
PubChem CID79716430
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(CC)CC1CCNCC1
InChIInChI=1S/C14H31N3O2S/c1-4-11-17(12-5-2)20(18,19)16(6-3)13-14-7-9-15-10-8-14/h14-15H,4-13H2,1-3H3
InChIKeyOTLZLXOEKJYQHO-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
4-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 114811132
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
N-ethyl-2-methoxy-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 79717472
N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
CID 54974040
propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate
CID 114465117
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
The IUPAC name of N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine (CID 79716430) is N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine is CCCN(CCC)S(=O)(=O)N(CC)CC1CCNCC1.
What is the InChIKey of N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
The InChIKey is OTLZLXOEKJYQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-4-11-17(12-5-2)20(18,19)16(6-3)13-14-7-9-15-10-8-14/h14-15H,4-13H2,1-3H3.
What are the key properties of N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine is sourced from PubChem (CID 79716430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).