4-methyl-2-(thiolan-3-ylamino)pentan-1-ol

C10H21NOS — CID 61242208

IUPAC4-methyl-2-(thiolan-3-ylamino)pentan-1-ol
SMILESCC(C)CC(CO)NC1CCSC1
InChIInChI=1S/C10H21NOS/c1-8(2)5-10(6-12)11-9-3-4-13-7-9/h8-12H,3-7H2,1-2H3
InChIKeyUXWUZMNCBKBKHT-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds5

About 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol

4-methyl-2-(thiolan-3-ylamino)pentan-1-ol (PubChem CID 61242208) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(thiolan-3-ylamino)pentan-1-ol
PubChem CID61242208
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-methyl-2-(thiolan-3-ylamino)pentan-1-ol
SMILESCC(C)CC(CO)NC1CCSC1
InChIInChI=1S/C10H21NOS/c1-8(2)5-10(6-12)11-9-3-4-13-7-9/h8-12H,3-7H2,1-2H3
InChIKeyUXWUZMNCBKBKHT-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol (CID 61242208) is 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol is CC(C)CC(CO)NC1CCSC1.
What is the InChIKey of 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol?
The InChIKey is UXWUZMNCBKBKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)5-10(6-12)11-9-3-4-13-7-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol?
4-methyl-2-(thiolan-3-ylamino)pentan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiolan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 61242208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).