2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine

C9H17NS — CID 102673487

IUPAC2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine
SMILESC=C(C)CNC1CCSC1C
InChIInChI=1S/C9H17NS/c1-7(2)6-10-9-4-5-11-8(9)3/h8-10H,1,4-6H2,2-3H3
InChIKeyKAJGZGJUYADITR-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine

2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine (PubChem CID 102673487) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine
PubChem CID102673487
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine
SMILESC=C(C)CNC1CCSC1C
InChIInChI=1S/C9H17NS/c1-7(2)6-10-9-4-5-11-8(9)3/h8-10H,1,4-6H2,2-3H3
InChIKeyKAJGZGJUYADITR-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948587
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 89583271
5-ethylsulfanyl-N-methyl-3-methylidenepentan-2-amine
CID 156092080
N-tert-butyl-1-tert-butylsulfanyl-3-methylbut-3-en-2-amine
CID 167623185
N-tert-butyl-2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]sulfanylprop-2-en-1-amine
CID 170194065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine (CID 102673487) is 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine is C=C(C)CNC1CCSC1C.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine?
The InChIKey is KAJGZGJUYADITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)6-10-9-4-5-11-8(9)3/h8-10H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine?
2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine has a molecular weight of 171.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine is sourced from PubChem (CID 102673487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).