(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine

C9H20N2O2S — CID 63767722

IUPAC(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
SMILESCC(C)(C)S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)14(12,13)11-6-4-5-8(11)7-10/h8H,4-7,10H2,1-3H3
InChIKeySRWXLTQVFCNBJI-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds2

About (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine

(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine (PubChem CID 63767722) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
PubChem CID63767722
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
SMILESCC(C)(C)S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)14(12,13)11-6-4-5-8(11)7-10/h8H,4-7,10H2,1-3H3
InChIKeySRWXLTQVFCNBJI-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromopropyl)-1-tert-butylsulfonylpyrrolidine
CID 80675102
2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
CID 63689892
1-(1-tert-butylsulfonylpiperidin-2-yl)propan-2-one
CID 79549113
(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
CID 59831561
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-sulfonamide
CID 94763811
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine (CID 63767722) is (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine is CC(C)(C)S(=O)(=O)N1CCCC1CN.
What is the InChIKey of (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine?
The InChIKey is SRWXLTQVFCNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,3)14(12,13)11-6-4-5-8(11)7-10/h8H,4-7,10H2,1-3H3.
What are the key properties of (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine?
(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine has a molecular weight of 220.34 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfonylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 63767722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).