N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine

C10H19NS — CID 142217398

IUPACN-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)SCCCC
InChIInChI=1S/C10H19NS/c1-4-7-10-12-11(8-5-2)9-6-3/h5-6H,2-4,7-10H2,1H3
InChIKeyDRCKQTUACUTRJR-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.11
Rot. Bonds8

About N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine

N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 142217398) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID142217398
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)SCCCC
InChIInChI=1S/C10H19NS/c1-4-7-10-12-11(8-5-2)9-6-3/h5-6H,2-4,7-10H2,1H3
InChIKeyDRCKQTUACUTRJR-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanethiol, 2-(diallylamino)-
CID 79925
2-Methyl-3,6-dihydro-1,2-thiazine
CID 89789611
N-ethyl-N-prop-2-enylsulfanylethanamine
CID 134892228
propan-2-ylsulfanyl N,N-bis(prop-2-enyl)carbamodithioate
CID 19838568
N-tert-butylsulfanyl-N-methylprop-2-en-1-amine
CID 20232813
2-(Methyl-2-propen-1-ylamino)ethanethiol
CID 22567655
1-[Bis(prop-2-enyl)amino]ethanethiol
CID 23203075
2-prop-2-enyl-3H-1,2-thiazole
CID 70391304
N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine
CID 87926217
N-prop-2-enyl-N-prop-2-enylsulfanylprop-2-en-1-amine
CID 87933712
1-[Bis(prop-2-enyl)amino]prop-2-ene-1-thiol
CID 87933714
3-[Bis(prop-2-enyl)amino]propane-1-thiol
CID 88127589

Frequently Asked Questions

What is the IUPAC name of N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine (CID 142217398) is N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)SCCCC.
What is the InChIKey of N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is DRCKQTUACUTRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-7-10-12-11(8-5-2)9-6-3/h5-6H,2-4,7-10H2,1H3.
What are the key properties of N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 142217398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).