(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine

C9H20N2O2S — CID 119962777

IUPAC(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
SMILESCCC(C)CS(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H20N2O2S/c1-3-8(2)7-14(12,13)11-5-4-9(10)6-11/h8-9H,3-7,10H2,1-2H3/t8?,9-/m1/s1
InChIKeyMKLWKTZWDSDYAJ-YGPZHTELSA-N
MW220.34 g/mol
LogP0.40
Rot. Bonds4

About (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine

(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine (PubChem CID 119962777) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
PubChem CID119962777
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
SMILESCCC(C)CS(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H20N2O2S/c1-3-8(2)7-14(12,13)11-5-4-9(10)6-11/h8-9H,3-7,10H2,1-2H3/t8?,9-/m1/s1
InChIKeyMKLWKTZWDSDYAJ-YGPZHTELSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959284
1-(2-methylbutylsulfonyl)piperidin-3-ol
CID 111439844
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553988
1-(2-methoxypropylsulfonyl)piperidin-4-amine
CID 120998704
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962481
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine (CID 119962777) is (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine is CCC(C)CS(=O)(=O)N1CC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine?
The InChIKey is MKLWKTZWDSDYAJ-YGPZHTELSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-8(2)7-14(12,13)11-5-4-9(10)6-11/h8-9H,3-7,10H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine?
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine has a molecular weight of 220.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 119962777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).