3-methyl-4-thiomorpholin-4-ylbutan-1-amine

C9H20N2S — CID 80544101

IUPAC3-methyl-4-thiomorpholin-4-ylbutan-1-amine
SMILESCC(CCN)CN1CCSCC1
InChIInChI=1S/C9H20N2S/c1-9(2-3-10)8-11-4-6-12-7-5-11/h9H,2-8,10H2,1H3
InChIKeyVMRRLZQSSNNEQB-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.02
Rot. Bonds4

About 3-methyl-4-thiomorpholin-4-ylbutan-1-amine

3-methyl-4-thiomorpholin-4-ylbutan-1-amine (PubChem CID 80544101) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-methyl-4-thiomorpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-4-thiomorpholin-4-ylbutan-1-amine
PubChem CID80544101
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-methyl-4-thiomorpholin-4-ylbutan-1-amine
SMILESCC(CCN)CN1CCSCC1
InChIInChI=1S/C9H20N2S/c1-9(2-3-10)8-11-4-6-12-7-5-11/h9H,2-8,10H2,1H3
InChIKeyVMRRLZQSSNNEQB-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
CID 80544135
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine
CID 28787625
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
2-methyl-5-thiomorpholin-4-ylpentan-1-amine
CID 82017096
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
CID 116991552
4-(3-methylhexyl)thiomorpholine
CID 123685025
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 104681883
2-methyl-3-thiomorpholin-4-ylpropanenitrile
CID 43174855

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-thiomorpholin-4-ylbutan-1-amine?
The IUPAC name of 3-methyl-4-thiomorpholin-4-ylbutan-1-amine (CID 80544101) is 3-methyl-4-thiomorpholin-4-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-4-thiomorpholin-4-ylbutan-1-amine?
The canonical SMILES for 3-methyl-4-thiomorpholin-4-ylbutan-1-amine is CC(CCN)CN1CCSCC1.
What is the InChIKey of 3-methyl-4-thiomorpholin-4-ylbutan-1-amine?
The InChIKey is VMRRLZQSSNNEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(2-3-10)8-11-4-6-12-7-5-11/h9H,2-8,10H2,1H3.
What are the key properties of 3-methyl-4-thiomorpholin-4-ylbutan-1-amine?
3-methyl-4-thiomorpholin-4-ylbutan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-thiomorpholin-4-ylbutan-1-amine is sourced from PubChem (CID 80544101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).