4-(1,4-dithian-2-ylmethylamino)pentan-1-ol

C10H21NOS2 — CID 115972534

IUPAC4-(1,4-dithian-2-ylmethylamino)pentan-1-ol
SMILESCC(CCCO)NCC1CSCCS1
InChIInChI=1S/C10H21NOS2/c1-9(3-2-4-12)11-7-10-8-13-5-6-14-10/h9-12H,2-8H2,1H3
InChIKeyZSKNZIBNGTWVMR-UHFFFAOYSA-N
MW235.42 g/mol
LogP1.59
Rot. Bonds6

About 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol

4-(1,4-dithian-2-ylmethylamino)pentan-1-ol (PubChem CID 115972534) has the molecular formula C10H21NOS2 and a molecular weight of 235.42 g/mol. Its IUPAC name is 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(1,4-dithian-2-ylmethylamino)pentan-1-ol
PubChem CID115972534
Molecular FormulaC10H21NOS2
Molecular Weight235.42 g/mol
Exact Mass235.11
IUPAC Name4-(1,4-dithian-2-ylmethylamino)pentan-1-ol
SMILESCC(CCCO)NCC1CSCCS1
InChIInChI=1S/C10H21NOS2/c1-9(3-2-4-12)11-7-10-8-13-5-6-14-10/h9-12H,2-8H2,1H3
InChIKeyZSKNZIBNGTWVMR-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(1,4-dithian-2-ylmethyl)-2-methylpropan-1-amine
CID 115727439
4-(thiolan-3-ylamino)pentan-1-ol
CID 75356498
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 113262622
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
1-(3-chlorophenyl)-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 113262624
2-[(sulfamoylamino)methyl]-1,4-dithiane
CID 115688641
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2S)-3-(1,4-dithian-2-ylmethylamino)propane-1,2-diol
CID 104866322
1-(1,4-dithian-2-ylmethyl)-2,3-dimethylguanidine
CID 111975003
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
1-[4-(difluoromethoxy)phenyl]-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 115727418

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol (CID 115972534) is 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol is CC(CCCO)NCC1CSCCS1.
What is the InChIKey of 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol?
The InChIKey is ZSKNZIBNGTWVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS2/c1-9(3-2-4-12)11-7-10-8-13-5-6-14-10/h9-12H,2-8H2,1H3.
What are the key properties of 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol?
4-(1,4-dithian-2-ylmethylamino)pentan-1-ol has a molecular weight of 235.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dithian-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 115972534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).