N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide

C12H26N2O2S — CID 22772688

IUPACN-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-5-10-17(15,16)13-12-6-8-14(9-7-12)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyHLVZXSJFFBKLFS-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.58
Rot. Bonds6

About N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide

N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide (PubChem CID 22772688) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
PubChem CID22772688
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-5-10-17(15,16)13-12-6-8-14(9-7-12)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyHLVZXSJFFBKLFS-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropylhexane-1-sulfonamide
CID 67119181
1-propan-2-yl-4-(sulfamoylamino)piperidine
CID 112684194
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822591
3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
CID 54963947
N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
CID 178076415
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732749

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide (CID 22772688) is N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide?
The InChIKey is HLVZXSJFFBKLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-5-10-17(15,16)13-12-6-8-14(9-7-12)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide?
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 22772688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).