N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine

C10H19NS — CID 107907376

IUPACN-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCC1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-4-9(2)11-8-10(3)6-5-7-12-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyOUNDBPULKFBYJC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine

N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine (PubChem CID 107907376) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine
PubChem CID107907376
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCC1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-4-9(2)11-8-10(3)6-5-7-12-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyOUNDBPULKFBYJC-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.44
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

N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
4-Methyl-2-(1-methylsulfanylethenyl)pyrrolidine
CID 123498185
4-methyl-2-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine
CID 146324192
(4R)-N-[(2R)-butan-2-yl]-4-methyl-3-methylidene-5-methylsulfanylpentan-1-amine
CID 163480983
2-methyl-N-[(Z,2S)-4-methylsulfanylbut-3-en-2-yl]pentan-3-amine
CID 164096717
4-methyl-N-[2-[(1Z)-penta-1,4-dienyl]sulfanylethyl]hexan-2-amine
CID 174249079
2-But-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine
CID 15922051

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine (CID 107907376) is N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine is C=CC(C)NCC1(C)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine?
The InChIKey is OUNDBPULKFBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9(2)11-8-10(3)6-5-7-12-10/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine?
N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine is sourced from PubChem (CID 107907376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).