CID 88587383

C7H14BNS — CID 88587383

IUPAC—
SMILES[B]C(=C)[C@H](CCSC)NC
InChIInChI=1S/C7H14BNS/c1-6(8)7(9-2)4-5-10-3/h7,9H,1,4-5H2,2-3H3/t7-/m0/s1
InChIKeyVGYMDBQNZRKXCS-ZETCQYMHSA-N
MW155.08 g/mol
LogP1.01
Rot. Bonds5

About CID 88587383

CID 88587383 (PubChem CID 88587383) has the molecular formula C7H14BNS and a molecular weight of 155.08 g/mol.

Molecular Properties

Compound NameCID 88587383
PubChem CID88587383
Molecular FormulaC7H14BNS
Molecular Weight155.08 g/mol
Exact Mass155.09
IUPAC Name—
SMILES[B]C(=C)[C@H](CCSC)NC
InChIInChI=1S/C7H14BNS/c1-6(8)7(9-2)4-5-10-3/h7,9H,1,4-5H2,2-3H3/t7-/m0/s1
InChIKeyVGYMDBQNZRKXCS-ZETCQYMHSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800
(3S)-3-(methylamino)-5-methylsulfanylpent-1-ene-2-thiol
CID 89062734
(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 89177349
5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89229161
CID 89468861
CID 89468861
N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 89583271
CID 89899369
CID 89899369
N,2-dimethyl-2,3-dihydrothiophen-3-amine
CID 146338252
3-ethylsulfanyl-N-methylbut-3-en-2-amine
CID 163566512
N-methyl-1-methylsulfanylpent-4-en-2-amine
CID 62693405
N-methyl-1-methylsulfanylbut-3-en-2-amine
CID 65576849

Frequently Asked Questions

What is the IUPAC name of CID 88587383?
The IUPAC name of CID 88587383 (CID 88587383) is not available.
What is the SMILES notation for CID 88587383?
The canonical SMILES for CID 88587383 is [B]C(=C)[C@H](CCSC)NC.
What is the InChIKey of CID 88587383?
The InChIKey is VGYMDBQNZRKXCS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14BNS/c1-6(8)7(9-2)4-5-10-3/h7,9H,1,4-5H2,2-3H3/t7-/m0/s1.
What are the key properties of CID 88587383?
CID 88587383 has a molecular weight of 155.08 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88587383 is sourced from PubChem (CID 88587383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).