(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine

C8H18N2O2S — CID 62064103

IUPAC(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCC(C)S(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-4-3-8(5-9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyUOJSETOOJMBFSD-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds3

About (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine

(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 62064103) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID62064103
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCC(C)S(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-4-3-8(5-9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyUOJSETOOJMBFSD-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
CID 165476115
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119972217
3-ethyl-1-propan-2-ylsulfonylpiperidine
CID 59266027
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313
[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061807
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 54592998
[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 114551752
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine (CID 62064103) is (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine is CC(C)S(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is UOJSETOOJMBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-4-3-8(5-9)6-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 206.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62064103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).