CID 130216778

C5H10NOS2- — CID 130216778

IUPAC—
SMILESO=[S-](=S)CNC1CCC1
InChIInChI=1S/C5H10NOS2/c7-9(8)4-6-5-2-1-3-5/h5-6H,1-4H2/q-1
InChIKeyZXYMZFQJLWGBFD-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.51
Rot. Bonds3

About CID 130216778

CID 130216778 (PubChem CID 130216778) has the molecular formula C5H10NOS2- and a molecular weight of 164.27 g/mol.

Molecular Properties

Compound NameCID 130216778
PubChem CID130216778
Molecular FormulaC5H10NOS2-
Molecular Weight164.27 g/mol
Exact Mass164.02
IUPAC Name—
SMILESO=[S-](=S)CNC1CCC1
InChIInChI=1S/C5H10NOS2/c7-9(8)4-6-5-2-1-3-5/h5-6H,1-4H2/q-1
InChIKeyZXYMZFQJLWGBFD-UHFFFAOYSA-N
XLogP0.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)cyclobutanamine
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2-(cyclopentylamino)acetaldehyde
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2-(cyclobutylamino)ethanesulfinic acid
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2-(cyclooctylamino)acetaldehyde
CID 54127694
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
2-[(cyclobutylamino)methyl]prop-2-enoic acid
CID 103250129
1-(cyclobutylamino)propan-2-one
CID 21335373
1-[2-(cyclobutylamino)ethyl]-3-methylurea
CID 123788370
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
4-(cyclohexylamino)butanal
CID 140677611
N',N'-dicyclohexyl-N-cyclopentylethane-1,2-diamine
CID 60851932
(cyclobutylamino)methyl cyclohexanecarboxylate
CID 151663957

Frequently Asked Questions

What is the IUPAC name of CID 130216778?
The IUPAC name of CID 130216778 (CID 130216778) is not available.
What is the SMILES notation for CID 130216778?
The canonical SMILES for CID 130216778 is O=[S-](=S)CNC1CCC1.
What is the InChIKey of CID 130216778?
The InChIKey is ZXYMZFQJLWGBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOS2/c7-9(8)4-6-5-2-1-3-5/h5-6H,1-4H2/q-1.
What are the key properties of CID 130216778?
CID 130216778 has a molecular weight of 164.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 130216778 is sourced from PubChem (CID 130216778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).