3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine

C10H22N2O2S2 — CID 66381906

IUPAC3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
SMILESCC(C)C(N)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S2/c1-8(2)9(11)6-12-4-5-15-7-10(12)16(3,13)14/h8-10H,4-7,11H2,1-3H3
InChIKeyITOACPNUCQKCSQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.39
Rot. Bonds4

About 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine

3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine (PubChem CID 66381906) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
PubChem CID66381906
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
SMILESCC(C)C(N)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S2/c1-8(2)9(11)6-12-4-5-15-7-10(12)16(3,13)14/h8-10H,4-7,11H2,1-3H3
InChIKeyITOACPNUCQKCSQ-UHFFFAOYSA-N
XLogP0.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
CID 66382008
2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
CID 66383750
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
3,3,3-trifluoro-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]propanimidamide
CID 103370778
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
CID 66382204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine (CID 66381906) is 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine is CC(C)C(N)CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine?
The InChIKey is ITOACPNUCQKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-8(2)9(11)6-12-4-5-15-7-10(12)16(3,13)14/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine?
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine is sourced from PubChem (CID 66381906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).