(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine

C10H22N2O2S — CID 72931486

IUPAC(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(S(=O)(=O)C(C)C)C[C@@H]1N
InChIInChI=1S/C10H22N2O2S/c1-7(2)9-5-12(6-10(9)11)15(13,14)8(3)4/h7-10H,5-6,11H2,1-4H3/t9-,10+/m1/s1
InChIKeyBUQNBSCZYWDQIB-ZJUUUORDSA-N
MW234.36 g/mol
LogP0.64
Rot. Bonds3

About (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine

(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine (PubChem CID 72931486) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine
PubChem CID72931486
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(S(=O)(=O)C(C)C)C[C@@H]1N
InChIInChI=1S/C10H22N2O2S/c1-7(2)9-5-12(6-10(9)11)15(13,14)8(3)4/h7-10H,5-6,11H2,1-4H3/t9-,10+/m1/s1
InChIKeyBUQNBSCZYWDQIB-ZJUUUORDSA-N
XLogP0.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 121339915
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CID 102547987
(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
CID 165476115
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
4-propan-2-ylsulfonylpiperazine-2,6-dione
CID 66085193
2-methyl-4-propan-2-ylsulfonylmorpholine
CID 61355181
3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine
CID 162081963
4-bromo-3-methyl-1-propan-2-ylsulfonylpiperidine
CID 114683726
(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine
CID 72885915

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine (CID 72931486) is (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine is CC(C)[C@H]1CN(S(=O)(=O)C(C)C)C[C@@H]1N.
What is the InChIKey of (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine?
The InChIKey is BUQNBSCZYWDQIB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-7(2)9-5-12(6-10(9)11)15(13,14)8(3)4/h7-10H,5-6,11H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine?
(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine has a molecular weight of 234.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72931486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).