N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide

C15H33N3O2S — CID 106088438

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H33N3O2S/c1-4-9-16-10-5-6-13-21(19,20)17-14-15(2)7-11-18(3)12-8-15/h16-17H,4-14H2,1-3H3
InChIKeyAURDBNNPGBFLQI-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.42
Rot. Bonds10

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide (PubChem CID 106088438) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide
PubChem CID106088438
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H33N3O2S/c1-4-9-16-10-5-6-13-21(19,20)17-14-15(2)7-11-18(3)12-8-15/h16-17H,4-14H2,1-3H3
InChIKeyAURDBNNPGBFLQI-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(propylamino)ethanesulfonamide
CID 106088443
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088420
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106088421
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107164561
N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686
N-[(1-methylsulfanylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106092414
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106094851
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
N-(2,2-dimethylbutyl)-4-(propylamino)butane-1-sulfonamide
CID 103466329
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybutan-1-amine
CID 107163643
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide (CID 106088438) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
The InChIKey is AURDBNNPGBFLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-4-9-16-10-5-6-13-21(19,20)17-14-15(2)7-11-18(3)12-8-15/h16-17H,4-14H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide has a molecular weight of 319.52 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106088438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).