N-(2-methylpropoxy)thian-4-amine

C9H19NOS — CID 82709105

IUPACN-(2-methylpropoxy)thian-4-amine
SMILESCC(C)CONC1CCSCC1
InChIInChI=1S/C9H19NOS/c1-8(2)7-11-10-9-3-5-12-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyBFLXSJWGHMKABB-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.06
Rot. Bonds4

About N-(2-methylpropoxy)thian-4-amine

N-(2-methylpropoxy)thian-4-amine (PubChem CID 82709105) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-methylpropoxy)thian-4-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)thian-4-amine
PubChem CID82709105
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(2-methylpropoxy)thian-4-amine
SMILESCC(C)CONC1CCSCC1
InChIInChI=1S/C9H19NOS/c1-8(2)7-11-10-9-3-5-12-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyBFLXSJWGHMKABB-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxy)cyclopentanamine
CID 82709938
N-(2-methylpropoxy)cyclobutanamine
CID 82712780
N-(2-methylpropoxy)-1-propylpiperidin-4-amine
CID 82710051
3-methyl-N-(2-methylpropoxy)cyclohexan-1-amine
CID 82710052
N-(1-cyclopropyl-2-methoxyethyl)thian-4-amine
CID 115752868
N-(2-cyclopropylpropyl)thian-4-amine
CID 115592688
N-pentan-2-ylthian-4-amine
CID 43394859
1-(1-methoxypropan-2-yl)-3-(thian-4-yl)thiourea
CID 115599640
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
propan-2-yl 2-(thian-4-ylamino)acetate
CID 115627172
N-butan-2-ylthiepan-4-amine
CID 164646547

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)thian-4-amine?
The IUPAC name of N-(2-methylpropoxy)thian-4-amine (CID 82709105) is N-(2-methylpropoxy)thian-4-amine.
What is the SMILES notation for N-(2-methylpropoxy)thian-4-amine?
The canonical SMILES for N-(2-methylpropoxy)thian-4-amine is CC(C)CONC1CCSCC1.
What is the InChIKey of N-(2-methylpropoxy)thian-4-amine?
The InChIKey is BFLXSJWGHMKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)7-11-10-9-3-5-12-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)thian-4-amine?
N-(2-methylpropoxy)thian-4-amine has a molecular weight of 189.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)thian-4-amine is sourced from PubChem (CID 82709105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).