7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine

C11H25NS2 — CID 166678448

IUPAC7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine
SMILESCC(C)NCCCCCCCS(C)=S
InChIInChI=1S/C11H25NS2/c1-11(2)12-9-7-5-4-6-8-10-14(3)13/h11-12H,4-10H2,1-3H3
InChIKeyRYQMFNRKFISQFR-UHFFFAOYSA-N
MW235.46 g/mol
LogP2.64
Rot. Bonds9

About 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine

7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine (PubChem CID 166678448) has the molecular formula C11H25NS2 and a molecular weight of 235.46 g/mol. Its IUPAC name is 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine
PubChem CID166678448
Molecular FormulaC11H25NS2
Molecular Weight235.46 g/mol
Exact Mass235.14
IUPAC Name7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine
SMILESCC(C)NCCCCCCCS(C)=S
InChIInChI=1S/C11H25NS2/c1-11(2)12-9-7-5-4-6-8-10-14(3)13/h11-12H,4-10H2,1-3H3
InChIKeyRYQMFNRKFISQFR-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylicosan-1-amine
CID 87246132
3-methylsulfinyl-N-propan-2-ylpropan-1-amine
CID 64655620
N'-propan-2-yloctane-1,8-diamine
CID 138605826
8-hydrazinyl-N-propan-2-yloctan-1-amine
CID 167072309
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
4-(propan-2-ylamino)butan-1-ol
CID 12950986
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
N-propan-2-ylbutan-1-amine chloride
CID 19629099

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine?
The IUPAC name of 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine (CID 166678448) is 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine is CC(C)NCCCCCCCS(C)=S.
What is the InChIKey of 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine?
The InChIKey is RYQMFNRKFISQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS2/c1-11(2)12-9-7-5-4-6-8-10-14(3)13/h11-12H,4-10H2,1-3H3.
What are the key properties of 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine?
7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine has a molecular weight of 235.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfinothioyl-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 166678448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).