ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine

C7H21NOS — CID 142291440

IUPACethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine
SMILESCC.CCCNS(C)(C)O
InChIInChI=1S/C5H15NOS.C2H6/c1-4-5-6-8(2,3)7;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyACUIEZYHAAASMC-UHFFFAOYSA-N
MW167.32 g/mol
LogP2.46
Rot. Bonds3

About ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine

ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine (PubChem CID 142291440) has the molecular formula C7H21NOS and a molecular weight of 167.32 g/mol. Its IUPAC name is ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine
PubChem CID142291440
Molecular FormulaC7H21NOS
Molecular Weight167.32 g/mol
Exact Mass167.13
IUPAC Nameethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine
SMILESCC.CCCNS(C)(C)O
InChIInChI=1S/C5H15NOS.C2H6/c1-4-5-6-8(2,3)7;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyACUIEZYHAAASMC-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine?
The IUPAC name of ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine (CID 142291440) is ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine.
What is the SMILES notation for ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine?
The canonical SMILES for ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine is CC.CCCNS(C)(C)O.
What is the InChIKey of ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine?
The InChIKey is ACUIEZYHAAASMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NOS.C2H6/c1-4-5-6-8(2,3)7;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine?
ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine has a molecular weight of 167.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[hydroxy(dimethyl)-λ4-sulfanyl]propan-1-amine is sourced from PubChem (CID 142291440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).