N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine

C13H26N2O2S — CID 173135259

IUPACN-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
SMILESO=S(=O)(CCCNCC1CCC1)N1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,15-9-2-1-3-10-15)11-5-8-14-12-13-6-4-7-13/h13-14H,1-12H2
InChIKeyYDNZFEXZOPSHTK-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds7

About N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine

N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine (PubChem CID 173135259) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
PubChem CID173135259
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
SMILESO=S(=O)(CCCNCC1CCC1)N1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,15-9-2-1-3-10-15)11-5-8-14-12-13-6-4-7-13/h13-14H,1-12H2
InChIKeyYDNZFEXZOPSHTK-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperidine-3-sulfonamide
CID 24703810
2-(Piperidine-1-sulfonyl)ethan-1-amine
CID 208100
(S)-Piperidine-3-sulfonamide
CID 28202542
{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
2-(2-(Piperidin-4-yl)ethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 20434917
rel-(3R)-piperidine-3-sulfonamide
CID 28202540
Piperidin-3-ylmethanesulfonamide
CID 50988744
Piperidin-4-ylmethanesulfonamide hydrochloride
CID 50988745
Piperidin-4-ylmethanesulfonamide
CID 21328013
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
N-methyl-1-(piperidin-3-yl)methanesulfonamide hydrochloride
CID 126796285
N-Methyl-1-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 137703094

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine (CID 173135259) is N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine is O=S(=O)(CCCNCC1CCC1)N1CCCCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
The InChIKey is YDNZFEXZOPSHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c16-18(17,15-9-2-1-3-10-15)11-5-8-14-12-13-6-4-7-13/h13-14H,1-12H2.
What are the key properties of N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 173135259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).