N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine

C11H19NS — CID 129299202

IUPACN-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine
SMILESC=C(C)[C@H](CCSC)NC1=CCC1
InChIInChI=1S/C11H19NS/c1-9(2)11(7-8-13-3)12-10-5-4-6-10/h5,11-12H,1,4,6-8H2,2-3H3/t11-/m0/s1
InChIKeyCWGGGYXZNVGHFY-NSHDSACASA-N
MW197.35 g/mol
LogP2.95
Rot. Bonds6

About N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine

N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine (PubChem CID 129299202) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine.

Molecular Properties

Compound NameN-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine
PubChem CID129299202
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine
SMILESC=C(C)[C@H](CCSC)NC1=CCC1
InChIInChI=1S/C11H19NS/c1-9(2)11(7-8-13-3)12-10-5-4-6-10/h5,11-12H,1,4,6-8H2,2-3H3/t11-/m0/s1
InChIKeyCWGGGYXZNVGHFY-NSHDSACASA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine?
The IUPAC name of N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine (CID 129299202) is N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine.
What is the SMILES notation for N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine?
The canonical SMILES for N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine is C=C(C)[C@H](CCSC)NC1=CCC1.
What is the InChIKey of N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine?
The InChIKey is CWGGGYXZNVGHFY-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NS/c1-9(2)11(7-8-13-3)12-10-5-4-6-10/h5,11-12H,1,4,6-8H2,2-3H3/t11-/m0/s1.
What are the key properties of N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine?
N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine is sourced from PubChem (CID 129299202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).