2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol

C9H19NOS — CID 61056863

IUPAC2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NCC1CC1
InChIInChI=1S/C9H19NOS/c1-12-5-4-9(7-11)10-6-8-2-3-8/h8-11H,2-7H2,1H3
InChIKeyHYWYFOJYEPLCEW-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.10
Rot. Bonds7

About 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol

2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol (PubChem CID 61056863) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol
PubChem CID61056863
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NCC1CC1
InChIInChI=1S/C9H19NOS/c1-12-5-4-9(7-11)10-6-8-2-3-8/h8-11H,2-7H2,1H3
InChIKeyHYWYFOJYEPLCEW-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol (CID 61056863) is 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol is CSCCC(CO)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol?
The InChIKey is HYWYFOJYEPLCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-5-4-9(7-11)10-6-8-2-3-8/h8-11H,2-7H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol?
2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 61056863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).