[3-(cyclopropylmethylamino)thian-3-yl]methanol

C10H19NOS — CID 62872224

IUPAC[3-(cyclopropylmethylamino)thian-3-yl]methanol
SMILESOCC1(NCC2CC2)CCCSC1
InChIInChI=1S/C10H19NOS/c12-7-10(4-1-5-13-8-10)11-6-9-2-3-9/h9,11-12H,1-8H2
InChIKeyPMVJYCNTJDYUBL-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.24
Rot. Bonds4

About [3-(cyclopropylmethylamino)thian-3-yl]methanol

[3-(cyclopropylmethylamino)thian-3-yl]methanol (PubChem CID 62872224) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is [3-(cyclopropylmethylamino)thian-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethylamino)thian-3-yl]methanol
PubChem CID62872224
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name[3-(cyclopropylmethylamino)thian-3-yl]methanol
SMILESOCC1(NCC2CC2)CCCSC1
InChIInChI=1S/C10H19NOS/c12-7-10(4-1-5-13-8-10)11-6-9-2-3-9/h9,11-12H,1-8H2
InChIKeyPMVJYCNTJDYUBL-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,2,2-Trifluoroethylamino)thian-3-yl]methanol
CID 62872043
2-(Methylamino)-2-(thian-4-yl)ethanol
CID 84072795
2-(Propan-2-ylamino)-2-(thian-4-yl)ethanol
CID 121367682
[3-(Cyclopropylmethylamino)thiolan-3-yl]methanol
CID 61054223
4-Methyl-2-[(thiolan-3-yl)amino]pentan-1-ol
CID 61242208
4-Methyl-2-[(thian-4-yl)amino]pentan-1-ol
CID 61246708
4-Methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol
CID 61247429
[4-(Propan-2-ylamino)thian-4-yl]methanol
CID 61337388
[4-(Butan-2-ylamino)thian-4-yl]methanol
CID 61337389
[4-(Ethylamino)thian-4-yl]methanol
CID 61337982
[4-(2-Methylpropylamino)thian-4-yl]methanol
CID 61338166
[4-(Propylamino)thian-4-yl]methanol
CID 61338364

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethylamino)thian-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethylamino)thian-3-yl]methanol (CID 62872224) is [3-(cyclopropylmethylamino)thian-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethylamino)thian-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethylamino)thian-3-yl]methanol is OCC1(NCC2CC2)CCCSC1.
What is the InChIKey of [3-(cyclopropylmethylamino)thian-3-yl]methanol?
The InChIKey is PMVJYCNTJDYUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-7-10(4-1-5-13-8-10)11-6-9-2-3-9/h9,11-12H,1-8H2.
What are the key properties of [3-(cyclopropylmethylamino)thian-3-yl]methanol?
[3-(cyclopropylmethylamino)thian-3-yl]methanol has a molecular weight of 201.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethylamino)thian-3-yl]methanol is sourced from PubChem (CID 62872224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).