(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol

C9H15NOS — CID 96500236

IUPAC(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
SMILESC[C@@H](O)CCNCc1cccs1
InChIInChI=1S/C9H15NOS/c1-8(11)4-5-10-7-9-3-2-6-12-9/h2-3,6,8,10-11H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyFPNGPGNOKVBXTR-MRVPVSSYSA-N
MW185.29 g/mol
LogP1.61
Rot. Bonds5

About (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol

(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol (PubChem CID 96500236) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
PubChem CID96500236
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
SMILESC[C@@H](O)CCNCc1cccs1
InChIInChI=1S/C9H15NOS/c1-8(11)4-5-10-7-9-3-2-6-12-9/h2-3,6,8,10-11H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyFPNGPGNOKVBXTR-MRVPVSSYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107757782
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol?
The IUPAC name of (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol (CID 96500236) is (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol?
The canonical SMILES for (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol is C[C@@H](O)CCNCc1cccs1.
What is the InChIKey of (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol?
The InChIKey is FPNGPGNOKVBXTR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8(11)4-5-10-7-9-3-2-6-12-9/h2-3,6,8,10-11H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol?
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(thiophen-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 96500236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).