N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide

C11H25N3O2S — CID 115270989

IUPACN-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
SMILESCN1CCC(S(=O)(=O)NCC(C)(C)CN)CC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,8-12)9-13-17(15,16)10-4-6-14(3)7-5-10/h10,13H,4-9,12H2,1-3H3
InChIKeyXWZSSLUPMIWLBH-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.02
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide (PubChem CID 115270989) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
PubChem CID115270989
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
SMILESCN1CCC(S(=O)(=O)NCC(C)(C)CN)CC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,8-12)9-13-17(15,16)10-4-6-14(3)7-5-10/h10,13H,4-9,12H2,1-3H3
InChIKeyXWZSSLUPMIWLBH-UHFFFAOYSA-N
XLogP-0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106141685
N-[2,2-dimethyl-3-(methylamino)propyl]cyclopentanesulfonamide
CID 115271131
N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
CID 115365303
2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
CID 115200323
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332
2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine
CID 116853188
N-(3-amino-2,2-difluoropropyl)cyclohexanesulfonamide
CID 114383985
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide
CID 110406941
N-(1-amino-2-cyclopropylpropan-2-yl)cyclopentanesulfonamide
CID 115752437
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide (CID 115270989) is N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide is CN1CCC(S(=O)(=O)NCC(C)(C)CN)CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide?
The InChIKey is XWZSSLUPMIWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,8-12)9-13-17(15,16)10-4-6-14(3)7-5-10/h10,13H,4-9,12H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide is sourced from PubChem (CID 115270989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).