N-(cyclopropylmethyl)-N-propylthiohydroxylamine

C7H15NS — CID 123556933

IUPACN-(cyclopropylmethyl)-N-propylthiohydroxylamine
SMILESCCCN(S)CC1CC1
InChIInChI=1S/C7H15NS/c1-2-5-8(9)6-7-3-4-7/h7,9H,2-6H2,1H3
InChIKeyKIIADVAZYCRKPT-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.95
Rot. Bonds4

About N-(cyclopropylmethyl)-N-propylthiohydroxylamine

N-(cyclopropylmethyl)-N-propylthiohydroxylamine (PubChem CID 123556933) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propylthiohydroxylamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propylthiohydroxylamine
PubChem CID123556933
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-(cyclopropylmethyl)-N-propylthiohydroxylamine
SMILESCCCN(S)CC1CC1
InChIInChI=1S/C7H15NS/c1-2-5-8(9)6-7-3-4-7/h7,9H,2-6H2,1H3
InChIKeyKIIADVAZYCRKPT-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 20769293
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CID 56637755
CID 58392029
CID 58392029
CID 58608457
CID 58608457
CID 59910046
CID 59910046
CID 122647028
CID 122647028
CID 123379490
CID 123379490
CID 123531669
CID 123531669
CID 134228237
CID 134228237
CID 134590496
CID 134590496
CID 143038149
CID 143038149

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propylthiohydroxylamine?
The IUPAC name of N-(cyclopropylmethyl)-N-propylthiohydroxylamine (CID 123556933) is N-(cyclopropylmethyl)-N-propylthiohydroxylamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propylthiohydroxylamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-propylthiohydroxylamine is CCCN(S)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propylthiohydroxylamine?
The InChIKey is KIIADVAZYCRKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-5-8(9)6-7-3-4-7/h7,9H,2-6H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propylthiohydroxylamine?
N-(cyclopropylmethyl)-N-propylthiohydroxylamine has a molecular weight of 145.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propylthiohydroxylamine is sourced from PubChem (CID 123556933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).