1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine

C9H20N2O3S — CID 120585494

IUPAC1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
SMILESCOCC(C)S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H20N2O3S/c1-7-4-11(5-9(7)10)15(12,13)8(2)6-14-3/h7-9H,4-6,10H2,1-3H3
InChIKeyUFQVZTQVWQIHRB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.37
Rot. Bonds4

About 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine

1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine (PubChem CID 120585494) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
PubChem CID120585494
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
SMILESCOCC(C)S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H20N2O3S/c1-7-4-11(5-9(7)10)15(12,13)8(2)6-14-3/h7-9H,4-6,10H2,1-3H3
InChIKeyUFQVZTQVWQIHRB-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
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-methoxypropan-2-ylsulfonyl)piperidin-3-amine
CID 119959530
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585422
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
CID 120585589
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585482

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine (CID 120585494) is 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine is COCC(C)S(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine?
The InChIKey is UFQVZTQVWQIHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7-4-11(5-9(7)10)15(12,13)8(2)6-14-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine?
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine has a molecular weight of 236.34 g/mol, XLogP of -0.37, 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)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120585494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).