2-[(2-methylthian-3-yl)amino]propan-1-ol

C9H19NOS — CID 79957366

IUPAC2-[(2-methylthian-3-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCCSC1C
InChIInChI=1S/C9H19NOS/c1-7(6-11)10-9-4-3-5-12-8(9)2/h7-11H,3-6H2,1-2H3
InChIKeyMFVQIRSKZSNZGJ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds3

About 2-[(2-methylthian-3-yl)amino]propan-1-ol

2-[(2-methylthian-3-yl)amino]propan-1-ol (PubChem CID 79957366) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-[(2-methylthian-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methylthian-3-yl)amino]propan-1-ol
PubChem CID79957366
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-[(2-methylthian-3-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCCSC1C
InChIInChI=1S/C9H19NOS/c1-7(6-11)10-9-4-3-5-12-8(9)2/h7-11H,3-6H2,1-2H3
InChIKeyMFVQIRSKZSNZGJ-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(2-methylthian-3-yl)amino]pentan-1-ol
CID 79957763
N-(3-ethylpentan-2-yl)-2-methylthian-3-amine
CID 79957150
2-[(2-methylthian-3-yl)amino]propanamide
CID 79957724
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
2-methyl-N-pentan-2-ylthiolan-3-amine
CID 102671361
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
CID 79957855
methyl 3-methyl-2-[(2-methylthian-3-yl)amino]pentanoate
CID 79956844
2-methyl-N-pent-1-yn-3-ylthian-3-amine
CID 106224949
2-cyclopropyl-2-[(2-methylthian-3-yl)amino]acetic acid
CID 79952090
2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylthian-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2-methylthian-3-yl)amino]propan-1-ol (CID 79957366) is 2-[(2-methylthian-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2-methylthian-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2-methylthian-3-yl)amino]propan-1-ol is CC(CO)NC1CCCSC1C.
What is the InChIKey of 2-[(2-methylthian-3-yl)amino]propan-1-ol?
The InChIKey is MFVQIRSKZSNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(6-11)10-9-4-3-5-12-8(9)2/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-[(2-methylthian-3-yl)amino]propan-1-ol?
2-[(2-methylthian-3-yl)amino]propan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylthian-3-yl)amino]propan-1-ol is sourced from PubChem (CID 79957366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).