(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride

C8H19ClN2O3S — CID 119962481

IUPAC(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCOCC(C)S(=O)(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C8H18N2O3S.ClH/c1-7(6-13-2)14(11,12)10-4-3-8(9)5-10;/h7-8H,3-6,9H2,1-2H3;1H/t7?,8-;/m1./s1
InChIKeyMFKNWLPHPZSYDQ-LTTWWRRRSA-N
MW258.77 g/mol
LogP-0.19
Rot. Bonds4

About (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride

(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 119962481) has the molecular formula C8H19ClN2O3S and a molecular weight of 258.77 g/mol. Its IUPAC name is (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
PubChem CID119962481
Molecular FormulaC8H19ClN2O3S
Molecular Weight258.77 g/mol
Exact Mass258.08
IUPAC Name(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCOCC(C)S(=O)(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C8H18N2O3S.ClH/c1-7(6-13-2)14(11,12)10-4-3-8(9)5-10;/h7-8H,3-6,9H2,1-2H3;1H/t7?,8-;/m1./s1
InChIKeyMFKNWLPHPZSYDQ-LTTWWRRRSA-N
XLogP-0.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine
CID 119959530
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
CID 61459472
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
CID 119962777
1-(2-methoxypropylsulfonyl)piperidin-4-amine
CID 120998704

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride (CID 119962481) is (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride is COCC(C)S(=O)(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is MFKNWLPHPZSYDQ-LTTWWRRRSA-N. The full InChI is InChI=1S/C8H18N2O3S.ClH/c1-7(6-13-2)14(11,12)10-4-3-8(9)5-10;/h7-8H,3-6,9H2,1-2H3;1H/t7?,8-;/m1./s1.
What are the key properties of (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).