(3-propan-2-ylthiolan-3-yl)methanamine

C8H17NS — CID 83815681

IUPAC(3-propan-2-ylthiolan-3-yl)methanamine
SMILESCC(C)C1(CN)CCSC1
InChIInChI=1S/C8H17NS/c1-7(2)8(5-9)3-4-10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyCEFHEZPTTYYIMN-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.72
Rot. Bonds2

About (3-propan-2-ylthiolan-3-yl)methanamine

(3-propan-2-ylthiolan-3-yl)methanamine (PubChem CID 83815681) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (3-propan-2-ylthiolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-propan-2-ylthiolan-3-yl)methanamine
PubChem CID83815681
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(3-propan-2-ylthiolan-3-yl)methanamine
SMILESCC(C)C1(CN)CCSC1
InChIInChI=1S/C8H17NS/c1-7(2)8(5-9)3-4-10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyCEFHEZPTTYYIMN-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-4-propan-2-ylpiperidin-4-yl)methanamine
CID 82598285
3-(2-methylpropyl)-3-propan-2-ylthietane
CID 164846034
2-[3-(1-aminopropyl)thiolan-3-yl]ethanol
CID 66092179
2-(3-butan-2-ylthiolan-3-yl)acetic acid
CID 83819549
3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
CID 43571900
4-(aminomethyl)-3,3-dimethylthian-4-ol
CID 83906129
3,3-difluorothiolane;ethane
CID 170752732
3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol
CID 115011555
3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine
CID 102697112
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596
3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
CID 62871309
3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine
CID 79948724

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylthiolan-3-yl)methanamine?
The IUPAC name of (3-propan-2-ylthiolan-3-yl)methanamine (CID 83815681) is (3-propan-2-ylthiolan-3-yl)methanamine.
What is the SMILES notation for (3-propan-2-ylthiolan-3-yl)methanamine?
The canonical SMILES for (3-propan-2-ylthiolan-3-yl)methanamine is CC(C)C1(CN)CCSC1.
What is the InChIKey of (3-propan-2-ylthiolan-3-yl)methanamine?
The InChIKey is CEFHEZPTTYYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)8(5-9)3-4-10-6-8/h7H,3-6,9H2,1-2H3.
What are the key properties of (3-propan-2-ylthiolan-3-yl)methanamine?
(3-propan-2-ylthiolan-3-yl)methanamine has a molecular weight of 159.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylthiolan-3-yl)methanamine is sourced from PubChem (CID 83815681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).