N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine

C7H15NS — CID 146290137

IUPACN-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine
SMILESCCC(C)/C=C\SNC
InChIInChI=1S/C7H15NS/c1-4-7(2)5-6-9-8-3/h5-8H,4H2,1-3H3/b6-5-
InChIKeyFPFXFABGZGDFTC-WAYWQWQTSA-N
MW145.27 g/mol
LogP2.41
Rot. Bonds4

About N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine

N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine (PubChem CID 146290137) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine.

Molecular Properties

Compound NameN-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine
PubChem CID146290137
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine
SMILESCCC(C)/C=C\SNC
InChIInChI=1S/C7H15NS/c1-4-7(2)5-6-9-8-3/h5-8H,4H2,1-3H3/b6-5-
InChIKeyFPFXFABGZGDFTC-WAYWQWQTSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyloct-4-ene
CID 73165576
trimethyl-[(E)-3-methylpent-1-enyl]silane
CID 14792795
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
(Z)-5-methylhept-3-ene
CID 5364727
2,2,6-trimethyloct-4-ene
CID 91281227
4-methyl-N-propan-2-ylhex-2-en-1-amine
CID 115278158
N,7-dimethylnon-5-en-1-amine
CID 166916633
(E)-4-methylhex-2-en-1-ol
CID 12036147
(Z)-2-(methylaminosulfanyl)ethenamine
CID 118176376
(1Z,3Z)-5-methylhepta-1,3-dien-1-amine
CID 144815707
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
(4E)-3,6-dimethylocta-1,4-dien-3-ol
CID 20526736

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine?
The IUPAC name of N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine (CID 146290137) is N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine.
What is the SMILES notation for N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine?
The canonical SMILES for N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine is CCC(C)/C=C\SNC.
What is the InChIKey of N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine?
The InChIKey is FPFXFABGZGDFTC-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-7(2)5-6-9-8-3/h5-8H,4H2,1-3H3/b6-5-.
What are the key properties of N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine?
N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine has a molecular weight of 145.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine is sourced from PubChem (CID 146290137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).