2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide

C14H31N3O3S — CID 106068725

IUPAC2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NC(COC)C(C)C
InChIInChI=1S/C14H31N3O3S/c1-5-15-10-13-8-6-7-9-17(13)21(18,19)16-14(11-20-4)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyVDHCRHBACJYGJN-UHFFFAOYSA-N
MW321.49 g/mol
LogP0.96
Rot. Bonds9

About 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide

2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide (PubChem CID 106068725) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
PubChem CID106068725
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC Name2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NC(COC)C(C)C
InChIInChI=1S/C14H31N3O3S/c1-5-15-10-13-8-6-7-9-17(13)21(18,19)16-14(11-20-4)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyVDHCRHBACJYGJN-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078074
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide (CID 106068725) is 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)NC(COC)C(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide?
The InChIKey is VDHCRHBACJYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-5-15-10-13-8-6-7-9-17(13)21(18,19)16-14(11-20-4)12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106068725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).