N-(3-phenylsulfanylpropoxy)methanamine

C10H15NOS — CID 143014343

IUPACN-(3-phenylsulfanylpropoxy)methanamine
SMILESCNOCCCSc1ccccc1
InChIInChI=1S/C10H15NOS/c1-11-12-8-5-9-13-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyAFTZJZAKUMMMJF-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.32
Rot. Bonds6

About N-(3-phenylsulfanylpropoxy)methanamine

N-(3-phenylsulfanylpropoxy)methanamine (PubChem CID 143014343) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(3-phenylsulfanylpropoxy)methanamine.

Molecular Properties

Compound NameN-(3-phenylsulfanylpropoxy)methanamine
PubChem CID143014343
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(3-phenylsulfanylpropoxy)methanamine
SMILESCNOCCCSc1ccccc1
InChIInChI=1S/C10H15NOS/c1-11-12-8-5-9-13-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyAFTZJZAKUMMMJF-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethoxy)propylsulfanylbenzene
CID 11344888
nickel;octylsulfanylbenzene
CID 157277722
N-(3-phenylsulfanylpropyl)hydroxylamine
CID 90764549
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
N-ethoxy-4-phenylsulfanylbutanamide
CID 60717776
3-phenylsulfanylpropylazanium chloride
CID 70560097
1-methyl-4-(3-phenoxypropylsulfanyl)benzene
CID 101473758
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
N,2,2-trimethyl-7-phenylsulfanylheptan-3-amine
CID 79223913
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650
N-(3-phenylsulfanylpropyl)methanesulfonamide
CID 47108530

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylsulfanylpropoxy)methanamine?
The IUPAC name of N-(3-phenylsulfanylpropoxy)methanamine (CID 143014343) is N-(3-phenylsulfanylpropoxy)methanamine.
What is the SMILES notation for N-(3-phenylsulfanylpropoxy)methanamine?
The canonical SMILES for N-(3-phenylsulfanylpropoxy)methanamine is CNOCCCSc1ccccc1.
What is the InChIKey of N-(3-phenylsulfanylpropoxy)methanamine?
The InChIKey is AFTZJZAKUMMMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-12-8-5-9-13-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of N-(3-phenylsulfanylpropoxy)methanamine?
N-(3-phenylsulfanylpropoxy)methanamine has a molecular weight of 197.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylsulfanylpropoxy)methanamine is sourced from PubChem (CID 143014343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).