N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide

C12H27N3O2S — CID 114141871

IUPACN-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2)13-8-4-7-11-18(16,17)14-15-9-5-3-6-10-15/h12-14H,3-11H2,1-2H3
InChIKeyRCEZYNCGDVOTEJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.08
Rot. Bonds8

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

N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 114141871) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID114141871
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2)13-8-4-7-11-18(16,17)14-15-9-5-3-6-10-15/h12-14H,3-11H2,1-2H3
InChIKeyRCEZYNCGDVOTEJ-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.08
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

4-amino-N-piperidin-1-ylbutane-1-sulfonamide
CID 83014122
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106088421
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide
CID 106075461
N-(3-ethylpentan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 65042305
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
N-[2-(3-methylbutoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106018612
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-[2-(dimethylamino)propyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114137556
N-(4-methylpentan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972724
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide (CID 114141871) is N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)NN1CCCCC1.
What is the InChIKey of N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is RCEZYNCGDVOTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2)13-8-4-7-11-18(16,17)14-15-9-5-3-6-10-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide?
N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 114141871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).