1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine

C9H20N2O3S — CID 119959530

IUPAC1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine
SMILESCOCC(C)S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C9H20N2O3S/c1-8(7-14-2)15(12,13)11-5-3-4-9(10)6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyNYMJDBMSBXRBIA-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.23
Rot. Bonds4

About 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine

1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine (PubChem CID 119959530) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine
PubChem CID119959530
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine
SMILESCOCC(C)S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C9H20N2O3S/c1-8(7-14-2)15(12,13)11-5-3-4-9(10)6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyNYMJDBMSBXRBIA-UHFFFAOYSA-N
XLogP-0.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962481
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
CID 61459472
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine?
The IUPAC name of 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine (CID 119959530) is 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine?
The canonical SMILES for 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine is COCC(C)S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine?
The InChIKey is NYMJDBMSBXRBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(7-14-2)15(12,13)11-5-3-4-9(10)6-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine?
1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine has a molecular weight of 236.34 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 119959530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).